Geometry & MOs

Info

ID:	142873
PubChem CID:	53106249
Reduced:	SN2O2C10H11 (2)
Stoich.:	AB2C2D10E11 (2)
Weight, g/mol:	459.128649
ΔH_f, kcal/mol:	-107.1
Dipole, Da:	6.89
IP(EA), eV:	-9.17(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(3-methylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC=CC=N4)SC1=O

DOS

IR

Vibrations